SCHEMBL5010174

SCHEMBL5010174

COc1ccc(Nc2c(C(=O)O)oc3ccncc23)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 3/20 0.56
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4C Q9H3R0 5/20 0.40
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 2/20 0.39
HTT P42858 1/20 0.39
ABCB1 P08183 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
BRAF P15056 1/20 0.38
EIF2AK3 Q9NZJ5 1/20 0.38
GPR35 Q9HC97 1/20 0.38
EDNRA P25101 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2564844 0.87 MAP2K1 (0.52) MAP2K1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL12164671 0.86 MAP2K1 (0.78) MAP2K1
SCHEMBL12164612 0.86 MAP2K1 (0.64) MAP2K1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2563035 0.84 MAP2K1 (0.56) MAP2K1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL2566005 0.84 MAP2K1 (0.72) MAP2K1
SCHEMBL4979784 0.83 MAP2K1 (0.54) MAP2K1KDM4EMEN1KMT2ABRAF
SCHEMBL4989997 0.82 MAP2K1 (0.59) MAP2K1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4986447 0.81 MAP2K1 (0.54) MAP2K1BRAFEIF2AK3
SCHEMBL4417403 0.80 MAP2K1 (0.56) MAP2K1KDM4EALDH1A1HPGDTP53
SCHEMBL12164611 0.77 MAP2K1 (0.77) MAP2K1BRAFEIF2AK3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide MAP3K2, MAP3K1, MAP2K2 MAP2K1 10/4885KDM4E 1257/4885ALDH1A1 1140/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.